2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline

C15H13N3S — CID 3158646

IUPAC2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1cccs1)Nc1ccccc1-2
InChIInChI=1S/C15H13N3S/c1-10-9-13-11-5-2-3-6-12(11)16-15(18(13)17-10)14-7-4-8-19-14/h2-9,15-16H,1H3
InChIKeyROMPGWCAEKUTSM-UHFFFAOYSA-N
MW267.36 g/mol
LogP3.89
Rot. Bonds1

About 2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline

2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3158646) has the molecular formula C15H13N3S and a molecular weight of 267.36 g/mol. Its IUPAC name is 2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3158646
Molecular FormulaC15H13N3S
Molecular Weight267.36 g/mol
Exact Mass267.08
IUPAC Name2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCc1cc2n(n1)C(c1cccs1)Nc1ccccc1-2
InChIInChI=1S/C15H13N3S/c1-10-9-13-11-5-2-3-6-12(11)16-15(18(13)17-10)14-7-4-8-19-14/h2-9,15-16H,1H3
InChIKeyROMPGWCAEKUTSM-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3158646) is 2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline is Cc1cc2n(n1)C(c1cccs1)Nc1ccccc1-2.
What is the InChIKey of 2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is ROMPGWCAEKUTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3S/c1-10-9-13-11-5-2-3-6-12(11)16-15(18(13)17-10)14-7-4-8-19-14/h2-9,15-16H,1H3.
What are the key properties of 2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline?
2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 267.36 g/mol, XLogP of 3.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-thiophen-2-yl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3158646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).